[3-azaniumyl-4-(2-hydroxyethyl)phenyl]azanium sulfate

Systemtic Name: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]azanium sulfate Openeye Name: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]ammonium sulfate CAS Name: [3-ammonio-4-(2-hydroxyethyl)phenyl]ammonium sulfate IUPAC Name: [3-azaniumyl-4-(2-hydroxyethyl)phenyl]azanium sulfate Traditional Name: [3-ammonio-4-(2-hydroxyethyl)phenyl]ammonium sulfate Formula: C8H14N2O5S MolecularWeight: 250.27216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[NH3+])[NH3+])CCO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1[NH3+])[NH3+])CCO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H12N2O.H2O4S/c9-7-2-1-6(3-4-11)8(10)5-7;1-5(2,3)4/h1-2,5,11H,3-4,9-10H2;(H2,1,2,3,4)